SCHEMBL3552467

SCHEMBL3552467

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.54
UQCRB P14927 1/20 0.54
SLC16A3 O15427 10/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PTPN5 P54829 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PSD A5PKW4 1/20 0.47
MCL1 Q07820 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3558978 0.94 HSD17B2 (0.57) HSD17B2UQCRBSLC16A3CA1CA2
SCHEMBL3553682 0.90 SLC16A3 (0.50) HSD17B2UQCRBSLC16A3KDM4EALDH1A1
SCHEMBL3561433 0.89 ACLY (0.56) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3562322 0.88 SLC16A3 (0.56) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3564778 0.87 SLC16A3 (0.64) SLC16A3KDM4EALDH1A1MCL1
SCHEMBL3557805 0.85 SLC16A3 (0.65) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3556080 0.85 SLC16A3 (0.56) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3554689 0.85 SLC16A3 (0.64) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3554341 0.85 CCR2 (0.59) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3554581 0.84 KDM4E (0.54) SLC16A3KDM4EALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 HSD17B2 485/4885UQCRB 162/4885SLC16A3 425/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.